1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride

C6H16ClNO3S — CID 159068672

IUPAC1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)C(O)S(=O)(=O)CCN.Cl
InChIInChI=1S/C6H15NO3S.ClH/c1-5(2)6(8)11(9,10)4-3-7;/h5-6,8H,3-4,7H2,1-2H3;1H
InChIKeyJZJHYKAOEIDUTC-UHFFFAOYSA-N
MW217.72 g/mol
LogP-0.24
Rot. Bonds4

About 1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride

1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride (PubChem CID 159068672) has the molecular formula C6H16ClNO3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride
PubChem CID159068672
Molecular FormulaC6H16ClNO3S
Molecular Weight217.72 g/mol
Exact Mass217.05
IUPAC Name1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)C(O)S(=O)(=O)CCN.Cl
InChIInChI=1S/C6H15NO3S.ClH/c1-5(2)6(8)11(9,10)4-3-7;/h5-6,8H,3-4,7H2,1-2H3;1H
InChIKeyJZJHYKAOEIDUTC-UHFFFAOYSA-N
XLogP-0.24
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride (CID 159068672) is 1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride is CC(C)C(O)S(=O)(=O)CCN.Cl.
What is the InChIKey of 1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride?
The InChIKey is JZJHYKAOEIDUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S.ClH/c1-5(2)6(8)11(9,10)4-3-7;/h5-6,8H,3-4,7H2,1-2H3;1H.
What are the key properties of 1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride?
1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride has a molecular weight of 217.72 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 159068672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).